SCHEMBL7988252

SCHEMBL7988252

C[C@H](NC(=O)c1ccc(C(=N)N)cc1)C(=O)N1CCc2nn(CC(=O)O)cc2C1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.68
ITGA2B P08514 14/20 0.68
HTT P42858 2/20 0.42
GAA P10253 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41
F10 P00742 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Trifluoroacetic Acid SCHEMBL7986432 0.95 ITGB3 (0.65) ITGB3ITGA2BHTTGAA
SCHEMBL7975364 0.86 ITGB3 (0.81) ITGB3ITGA2BALDH1A1TSHRF10
Trifluoroacetic Acid SCHEMBL7986470 0.85 ITGB3 (0.68) ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL7975218 0.83 ITGB3 (0.76) ITGB3ITGA2BF10
Trifluoroacetic Acid SCHEMBL8131615 0.81 ITGB3 (0.76) ITGB3ITGA2BHTTGAAF10
SCHEMBL7989263 0.81 ITGB3 (1.00) ITGB3ITGA2BHTTGAAF10
Trifluoroacetic Acid SCHEMBL7992672 0.81 ITGB3 (0.75) ITGB3ITGA2BHTTGAAF10
SCHEMBL7988614 0.80 ITGB3 (0.73) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7989027 0.79 ITGB3 (0.72) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7988698 0.78 ITGB3 (0.93) ITGB3ITGA2BHTTGAAF10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US claimed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP claimed
US-6265418-B1 ANTICOAGULANTS UBE INDUSTRIES, LTD. (JP) 2001-07-24 US disclosed
EP-1020467-A1 N-ACYLAMINO ACID AMIDE COMPOUNDS AND INTERMEDIATES FOR PREPARATION THEREOF UBE INDUSTRIES LIMITED (JP) 2000-07-19 EP disclosed